SCHEMBL11208712

SCHEMBL11208712

CC(C)(C)OC(=O)OC[C@H]1O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)C[C@@H]1OC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TK2 O00142 10/20 0.45
TYMS P04818 1/20 0.44
RNASE1 P07998 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11208715 1.00 TK1 (0.55) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205133 0.91 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205129 0.91 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205125 0.91 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11203987 0.90 TK1 (0.67) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11203990 0.90 TK1 (0.67) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11203995 0.90 TK1 (0.67) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11210169 0.89 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11210993 0.88 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11210991 0.88 TK1 (0.56) TK1CYP1A2CYP3A4TSHRBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095294-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed
EP-0095294-A1 Deoxyuridine compounds, methods for preparing them and their use in medicine BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed